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Roland St. Michel

2 results in Authors: Roland St. Michel

Theoretical and Computational Chemistry

Graph neural networks for predicting metal–ligand coordination of transition metal complexes

Jacob Toney, Roland St. Michel, Aaron Garrison, Ilia Kevlishvili, Heather Kulik

Version 1 posted 04 October 2024

244

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Theoretical and Computational Chemistry

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Ilia Kevlishvili, Roland St. Michel, Aaron Garrison, Jacob Toney, Husain Adamji, Haojun Jia, Heather Kulik

Version 1 posted 06 May 2024

219

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